Sfoglia per Autore  LAFIOSCA, Piero

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Mostrati risultati da 1 a 14 di 14
Titolo Data di pubblicazione Autori Tipo File
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches 2017 GIOVANNINI, TOMMASOLAFIOSCA, PieroCAPPELLI, Chiara 1.1 Articolo in rivista
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution 2018 Giovannini, TommasoDel Frate, GianlucaLafiosca, PieroCappelli, Chiara 1.1 Articolo in rivista
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling 2019 Giovannini, TommasoMacchiagodena, MarinaAmbrosetti, MatteoPUGLISI, ALESSANDRALafiosca, PieroLo Gerfo, GiuliaEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects 2019 Giovannini, TommasoLafiosca, PieroChandramouli, BalasubramanianBarone, VincenzoCappelli, Chiara 1.1 Articolo in rivista
Effective yet Reliable Computation of EPR Spectra in Solution by a QM/MM Approach: Interplay between Electrostatics and Non-electrostatic Effects 2019 Cappelli, ChiaraChandramouli, BalasubramanianGiovannini, TommasoLafiosca, PieroBarone, Vincenzo 1.1 Articolo in rivista
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures 2021 Lafiosca, PieroGiovannini, TommasoBenzi, MicheleCappelli, Chiara 1.1 Articolo in rivista
A polarizable three-layer frozen density embedding/molecular mechanics approach 2021 Egidi, FrancoAngelico, SaraLafiosca, PieroGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures? 2022 Giovannini T.Bonatti L.Lafiosca P.Nicoli L.Castagnola M.Corni S.Cappelli C. + 1.1 Articolo in rivista
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach 2022 Lafiosca P.Gomez S.Giovannini T.Cappelli C. 1.1 Articolo in rivista
Fully Atomistic Modeling of Plasmonic Bimetallic Nanoparticles: Nanoalloys and Core-Shell Systems 2023 Nicoli, LucaLafiosca, PieroGrobas Illobre, PabloBonatti, LucaGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA 2023 Gómez, SaraLafiosca, PieroEgidi, FrancoGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution 2023 Sepali, ChiaraLafiosca, PieroGómez, SaraGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models 2023 Lafiosca, PieroNicoli, LucaBonatti, LucaGiovannini, TommasoCorni, StefanoCappelli, Chiara 1.1 Articolo in rivista
Correction to “Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures” 2023 Lafiosca, PieroGiovannini, TommasoBenzi, MicheleCappelli, Chiara 1.1 Articolo in rivista
Mostrati risultati da 1 a 14 di 14
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